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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL399306
Molecular formula	C24H30N6O4S
IUPAC name	O-[[(2R,3R,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methyl] N-benzylcarbamothioate
Molecular weight	498.602
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	2.2
Synonyms	BDBM50224785 N6-cyclopentyl-9H-(2-C-methyl-5-N-benzylthiocarbamoyl-beta-D-ribofuranosyl)adenine
Inchi Key	GGCZMVXIEBHMTD-PDKZGUECSA-N
Inchi ID	InChI=1S/C24H30N6O4S/c1-24(32)19(31)17(12-33-23(35)25-11-15-7-3-2-4-8-15)34-22(24)30-14-28-18-20(26-13-27-21(18)30)29-16-9-5-6-10-16/h2-4,7-8,13-14,16-17,19,22,31-32H,5-6,9-12H2,1H3,(H,25,35)(H,26,27,29)/t17-,19-,22-,24-/m1/s1
PubChem CID	44447518
ChEMBL	CHEMBL399306
IUPHAR	N/A
BindingDB	50224785
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
95604	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
560277	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326

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